Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | POLB | P06746 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.45 |
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 6/20 | 0.44 |
| ▸ | CASP1 | P29466 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1939595 | 0.95 | THRB (0.52) | THRBKDM4EALDH1A1POLBLMNA | |
| SCHEMBL1939340 | 0.90 | THRB (0.47) | THRBKDM4EALDH1A1POLBLMNA | |
| SCHEMBL1381357 | 0.90 | HSD17B10 (0.49) | THRBKDM4EALDH1A1POLBLMNA | |
| SCHEMBL1939599 | 0.89 | KDM4E (0.41) | THRBKDM4EALDH1A1POLBLMNA | |
| SCHEMBL1377159 | 0.88 | HSD17B10 (0.47) | THRBKDM4EALDH1A1POLBLMNA | |
| SCHEMBL1382183 | 0.85 | KDM4E (0.53) | THRBKDM4EALDH1A1POLBLMNA | |
| SCHEMBL1380581 | 0.85 | THRB (0.48) | THRBKDM4EALDH1A1POLBLMNA | |
| SCHEMBL1938934 | 0.85 | THRB (0.48) | THRBKDM4EALDH1A1POLBLMNA | |
| SCHEMBL1939254 | 0.85 | HSD17B10 (0.49) | THRBKDM4EALDH1A1POLBLMNA | |
| SCHEMBL1378159 | 0.85 | HSD17B10 (0.54) | THRBKDM4EALDH1A1POLBLMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1851225-B1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-06-15 | — | — | EP | claimed |
| EP-1851225-B1 | PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-06-15 | — | — | EP | disclosed |